2-(4-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(4,5-difluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(4-fluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-fluoro-2-pyridinyl)benzo[f]chromen-1-one;[6-(1-oxobenzo[f]chromen-2-yl)-3-pyridinyl] acetate

C110H62Cl2F4N6O14 — CID 161007801

IUPAC2-(4-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(4,5-difluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(4-fluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-fluoro-2-pyridinyl)benzo[f]chromen-1-one;[6-(1-oxobenzo[f]chromen-2-yl)-3-pyridinyl] acetate
SMILESCC(=O)Oc1ccc(-c2coc3ccc4ccccc4c3c2=O)nc1.O=c1c(-c2cc(Cl)ccn2)coc2ccc3ccccc3c12.O=c1c(-c2cc(F)c(F)cn2)coc2ccc3ccccc3c12.O=c1c(-c2cc(F)ccn2)coc2ccc3ccccc3c12.O=c1c(-c2ccc(Cl)cn2)coc2ccc3ccccc3c12.O=c1c(-c2ccc(F)cn2)coc2ccc3ccccc3c12
InChIInChI=1S/C20H13NO4.2C18H10ClNO2.C18H9F2NO2.2C18H10FNO2/c1-12(22)25-14-7-8-17(21-10-14)16-11-24-18-9-6-13-4-2-3-5-15(13)19(18)20(16)23;19-12-6-7-15(20-9-12)14-10-22-16-8-5-11-3-1-2-4-13(11)17(16)18(14)21;19-12-7-8-20-15(9-12)14-10-22-16-6-5-11-3-1-2-4-13(11)17(16)18(14)21;19-13-7-15(21-8-14(13)20)12-9-23-16-6-5-10-3-1-2-4-11(10)17(16)18(12)22;19-12-6-7-15(20-9-12)14-10-22-16-8-5-11-3-1-2-4-13(11)17(16)18(14)21;19-12-7-8-20-15(9-12)14-10-22-16-6-5-11-3-1-2-4-13(11)17(16)18(14)21/h2-11H,1H3;2*1-10H;1-9H;2*1-10H
InChIKeyTWSRHWHHOLRTTO-UHFFFAOYSA-N
MW1838.63 g/mol
LogP25.84
Rot. Bonds7

About 2-(4-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(4,5-difluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(4-fluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-fluoro-2-pyridinyl)benzo[f]chromen-1-one;[6-(1-oxobenzo[f]chromen-2-yl)-3-pyridinyl] acetate

2-(4-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(4,5-difluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(4-fluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-fluoro-2-pyridinyl)benzo[f]chromen-1-one;[6-(1-oxobenzo[f]chromen-2-yl)-3-pyridinyl] acetate (PubChem CID 161007801) has the molecular formula C110H62Cl2F4N6O14 and a molecular weight of 1838.63 g/mol. Its IUPAC name is 2-(4-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(4,5-difluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(4-fluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-fluoro-2-pyridinyl)benzo[f]chromen-1-one;[6-(1-oxobenzo[f]chromen-2-yl)-3-pyridinyl] acetate.

Molecular Properties

Compound Name2-(4-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(4,5-difluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(4-fluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-fluoro-2-pyridinyl)benzo[f]chromen-1-one;[6-(1-oxobenzo[f]chromen-2-yl)-3-pyridinyl] acetate
PubChem CID161007801
Molecular FormulaC110H62Cl2F4N6O14
Molecular Weight1838.63 g/mol
Exact Mass1836.36
IUPAC Name2-(4-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(4,5-difluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(4-fluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-fluoro-2-pyridinyl)benzo[f]chromen-1-one;[6-(1-oxobenzo[f]chromen-2-yl)-3-pyridinyl] acetate
SMILESCC(=O)Oc1ccc(-c2coc3ccc4ccccc4c3c2=O)nc1.O=c1c(-c2cc(Cl)ccn2)coc2ccc3ccccc3c12.O=c1c(-c2cc(F)c(F)cn2)coc2ccc3ccccc3c12.O=c1c(-c2cc(F)ccn2)coc2ccc3ccccc3c12.O=c1c(-c2ccc(Cl)cn2)coc2ccc3ccccc3c12.O=c1c(-c2ccc(F)cn2)coc2ccc3ccccc3c12
InChIInChI=1S/C20H13NO4.2C18H10ClNO2.C18H9F2NO2.2C18H10FNO2/c1-12(22)25-14-7-8-17(21-10-14)16-11-24-18-9-6-13-4-2-3-5-15(13)19(18)20(16)23;19-12-6-7-15(20-9-12)14-10-22-16-8-5-11-3-1-2-4-13(11)17(16)18(14)21;19-12-7-8-20-15(9-12)14-10-22-16-6-5-11-3-1-2-4-13(11)17(16)18(14)21;19-13-7-15(21-8-14(13)20)12-9-23-16-6-5-10-3-1-2-4-11(10)17(16)18(12)22;19-12-6-7-15(20-9-12)14-10-22-16-8-5-11-3-1-2-4-13(11)17(16)18(14)21;19-12-7-8-20-15(9-12)14-10-22-16-6-5-11-3-1-2-4-13(11)17(16)18(14)21/h2-11H,1H3;2*1-10H;1-9H;2*1-10H
InChIKeyTWSRHWHHOLRTTO-UHFFFAOYSA-N
XLogP25.84
TPSA284.90 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds7
Heavy Atoms136
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001838.63
LogP ≤ 525.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(4-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(4,5-difluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(4-fluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-fluoro-2-pyridinyl)benzo[f]chromen-1-one;[6-(1-oxobenzo[f]chromen-2-yl)-3-pyridinyl] acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(4,5-difluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(4-fluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-fluoro-2-pyridinyl)benzo[f]chromen-1-one;[6-(1-oxobenzo[f]chromen-2-yl)-3-pyridinyl] acetate?
The IUPAC name of 2-(4-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(4,5-difluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(4-fluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-fluoro-2-pyridinyl)benzo[f]chromen-1-one;[6-(1-oxobenzo[f]chromen-2-yl)-3-pyridinyl] acetate (CID 161007801) is 2-(4-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(4,5-difluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(4-fluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-fluoro-2-pyridinyl)benzo[f]chromen-1-one;[6-(1-oxobenzo[f]chromen-2-yl)-3-pyridinyl] acetate.
What is the SMILES notation for 2-(4-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(4,5-difluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(4-fluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-fluoro-2-pyridinyl)benzo[f]chromen-1-one;[6-(1-oxobenzo[f]chromen-2-yl)-3-pyridinyl] acetate?
The canonical SMILES for 2-(4-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(4,5-difluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(4-fluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-fluoro-2-pyridinyl)benzo[f]chromen-1-one;[6-(1-oxobenzo[f]chromen-2-yl)-3-pyridinyl] acetate is CC(=O)Oc1ccc(-c2coc3ccc4ccccc4c3c2=O)nc1.O=c1c(-c2cc(Cl)ccn2)coc2ccc3ccccc3c12.O=c1c(-c2cc(F)c(F)cn2)coc2ccc3ccccc3c12.O=c1c(-c2cc(F)ccn2)coc2ccc3ccccc3c12.O=c1c(-c2ccc(Cl)cn2)coc2ccc3ccccc3c12.O=c1c(-c2ccc(F)cn2)coc2ccc3ccccc3c12.
What is the InChIKey of 2-(4-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(4,5-difluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(4-fluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-fluoro-2-pyridinyl)benzo[f]chromen-1-one;[6-(1-oxobenzo[f]chromen-2-yl)-3-pyridinyl] acetate?
The InChIKey is TWSRHWHHOLRTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO4.2C18H10ClNO2.C18H9F2NO2.2C18H10FNO2/c1-12(22)25-14-7-8-17(21-10-14)16-11-24-18-9-6-13-4-2-3-5-15(13)19(18)20(16)23;19-12-6-7-15(20-9-12)14-10-22-16-8-5-11-3-1-2-4-13(11)17(16)18(14)21;19-12-7-8-20-15(9-12)14-10-22-16-6-5-11-3-1-2-4-13(11)17(16)18(14)21;19-13-7-15(21-8-14(13)20)12-9-23-16-6-5-10-3-1-2-4-11(10)17(16)18(12)22;19-12-6-7-15(20-9-12)14-10-22-16-8-5-11-3-1-2-4-13(11)17(16)18(14)21;19-12-7-8-20-15(9-12)14-10-22-16-6-5-11-3-1-2-4-13(11)17(16)18(14)21/h2-11H,1H3;2*1-10H;1-9H;2*1-10H.
What are the key properties of 2-(4-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(4,5-difluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(4-fluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-fluoro-2-pyridinyl)benzo[f]chromen-1-one;[6-(1-oxobenzo[f]chromen-2-yl)-3-pyridinyl] acetate?
2-(4-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(4,5-difluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(4-fluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-fluoro-2-pyridinyl)benzo[f]chromen-1-one;[6-(1-oxobenzo[f]chromen-2-yl)-3-pyridinyl] acetate has a molecular weight of 1838.63 g/mol, XLogP of 25.84, 7 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(4,5-difluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(4-fluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-fluoro-2-pyridinyl)benzo[f]chromen-1-one;[6-(1-oxobenzo[f]chromen-2-yl)-3-pyridinyl] acetate is sourced from PubChem (CID 161007801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).